SCHEMBL2293748

SCHEMBL2293748

CCc1cccc(CC)c1OCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 2/20 0.49
PARP10 Q53GL7 1/20 0.47
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 1/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2293056 0.86 MAPT (0.45) IDO1ALDH1A1PARP10GABRA1GABRB2
SCHEMBL2292132 0.86 IDO1 (0.47) IDO1ALDH1A1PARP10GABRA1GABRB2
SCHEMBL2295387 0.83 IDO1 (0.44) IDO1ALDH1A1PARP10MAPTRAB9A
SCHEMBL2288392 0.81 ALDH1A1 (0.61) IDO1ALDH1A1PARP10GABRA1GABRB2
SCHEMBL2290933 0.81 IDO1 (0.50) IDO1ALDH1A1PARP10MAPTRAB9A
SCHEMBL2287392 0.81 IDO1 (0.46) IDO1ALDH1A1PARP10GABRA1GABRB2
SCHEMBL28006270 0.81 THRA (0.47) GABRA1GABRB2MAPTSMN1; SMN2THRA
SCHEMBL2290594 0.77 IDO1 (0.46) IDO1ALDH1A1PARP10MAPTRAB9A
SCHEMBL2290725 0.77 IDO1 (0.46) IDO1ALDH1A1PARP10MAPTRAB9A
SCHEMBL155397 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 IDO1 778/4885ALDH1A1 83/4885PARP10 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.